Geometry & MOs

Info

ID:	335970
PubChem CID:	127254977
Reduced:	ON8C16H26 (1)
Stoich.:	AB8C16D26 (1)
Weight, g/mol:	377.161853
ΔH_f, kcal/mol:	51.35
Dipole, Da:	10.53
IP(EA), eV:	-9.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=NNC(=N1)CCC2CCCC2)N3C=NN=N3

DOS

IR

Vibrations